MolNFT v2 · #177926 · protein

Structure of the CYP102A1 Haem Domain with N-enanthyl-L-prolyl-L-phenylalanine in complex with Ethylamine

7D0U: “Structure of the CYP102A1 Haem Domain with N-enanthyl-L-prolyl-L-phenylalanine in complex with Ethylamine”. X-ray diffraction at 1.68, 3 ligands (HEM, D0L, NEH). MolNFT v2 #177926 on GenesisL1: 3D structure, binding sites and…

PDB: 7D0U
Type: protein
Length: 908 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 1.68
Source: Bacillus megaterium
UniProt: P14779
Ligands: HEM, D0L, NEH

Structure

x-ray diffraction · resolution 1.68 · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	—	protein	454	—	P14779

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
D0L · (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid · ligand · 2 copies · chains A, B
NEH · Ethanamine · ligand · 2 copies · chains A, B
GOL · Glycerol · additive · 9 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

7D0U · Structure of the CYP102A1 haem domain with N-enanthyl-L-prolyl-L- phenylalanine in… · the same entry in another collection · chain A against A, TM-score 1.00
P14779 · AlphaFold monomer V2.0 prediction for bifunctional cytochrome P450/NADPH--P450 reductase… · a predicted model of the same protein · chain B against A, TM-score 0.99

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P14779
Elsewhere: RCSB PDB 7D0U · PDBe 7D0U · UniProt P14779

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